195 citations · 271 across the 7 of their papers we have counts for
7 papers
First-principles calculation of H vibrational excitations at a dislocation core of Pd
Hadley M. Lawler, Dallas R. Trinkle
Palladium is an ideal system for understanding the behavior of hydrogen in metals. In Pd, H is located both in octahedral sites and in dislocation cores, which act as nanoscale H t…
Optical to UV spectra and birefringence of SiO and TiO: First-principles calculations with excitonic effects
H. M. Lawler, J. J. Rehr, F. Vila +3
A first principles approach is presented for calculations of optical -- ultraviolet (UV) spectra including excitonic effects. The approach is based on Bethe-Salpeter equation calcu…
Theory of Rabi interaction between an infrared-active phonon and cavity-resonant modes
Hadley M. Lawler, Jason N. Byrd, Gavin K. Brennen
We present the theory of interaction between a polar vibration in a semiconductor and an electromagnetic mode of a surrounding cavity. Tuning the cavity frequency near the transver…
Room-temperature ballistic transport in narrow graphene strips
D. Gunlycke, H. M. Lawler, C. T. White
We investigate electron-phonon couplings, scattering rates, and mean free paths in zigzag-edge graphene strips with widths of the order of 10 nm. Our calculations for these graphen…
Two-phonon infrared processes in semiconductors
Hadley M. Lawler, Eric L. Shirley
We report our detailed calculation of the infrared spectra of GaAs and GaP from first principles, and similar ongoing efforts for diamond-type spectra, which have recently been cal…
Anharmonic effects on infrared spectra of GaAs and GaP
Hadley M. Lawler, Eric L. Shirley
With a study of bulk GaAs and GaP, we report detailed infrared spectra and their temperature dependence from first principles. Fine features and low-temperature trends in the predi…